Cas no 921819-99-0 (Phenol, 4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-)
![Phenol, 4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]- structure](https://ossimg.kuujia.com/scimg/922000/921819-99-0x500.png)
921819-99-0 structure
Product Name:Phenol, 4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-
CAS No:921819-99-0
MF:C17H16N2O5
MW:328.319344520569
CID:743067
PubChem ID:136229105
Update Time:2025-04-19
Phenol, 4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]- Chemical and Physical Properties
Names and Identifiers
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- 4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one
- Phenol, 4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-
- DTXSID80841039
- 921819-99-0
- 4-[5-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazol-3(2H)-ylidene]cyclohexa-2,5-dien-1-one
-
- Inchi： 1S/C17H16N2O5/c1-21-13-8-11(9-14(22-2)15(13)23-3)17-18-16(19-24-17)10-4-6-12(20)7-5-10/h4-9,20H,1-3H3
- InChI Key： DMSBLONOXIBOMA-UHFFFAOYSA-N
- SMILES： O1C(C2C=C(C(=C(C=2)OC)OC)OC)=NC(C2C=CC(=CC=2)O)=N1
Computed Properties
- Exact Mass: 328.10592162g/mol
- Monoisotopic Mass: 328.10592162g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 377
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 86.8?2
Phenol, 4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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